1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-2-nitrophenoxy)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-2-nitrophenoxy)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-24-15-6-7-17(16(10-15)20(22)23)25-12-18(21)19-9-8-13-4-2-3-5-14(13)11-19/h2-7,10H,8-9,11-12H2,1H3